NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3954 8.4449 120.2341 56.1797 31.2996 175.5013 7 E 4.0835 8.5186 119.1837 58.8968 30.1045 178.1043 8 Q 4.2060 9.0418 119.0519 58.7531 29.6386 177.8930 9 I 3.9155 8.1126 120.4017 64.8162 36.9435 177.6113 10 A 4.0752 7.6893 119.7919 55.5956 18.1937 179.6349 11 E 4.3672 7.9400 117.3889 59.0420 29.9649 179.3341 12 F 4.5302 8.6223 117.9642 60.3957 38.3874 177.9891 13 K 4.2763 8.9255 119.3052 59.4046 32.0260 179.1850 14 E 4.1309 8.1449 116.4968 59.1685 29.6116 178.9191 15 A 4.2562 8.2771 121.4579 55.1196 18.5600 179.1426 16 F 3.2180 8.1339 118.3540 61.5260 39.1565 177.8261 17 S 4.1551 7.6661 112.2334 61.7602 62.7799 176.2679 18 L 4.1143 7.4440 120.2974 57.7530 41.8668 178.5208 19 F 4.0644 8.1085 117.3960 59.8312 40.5056 176.4797 20 D 4.4965 8.1290 119.7346 52.1093 37.2829 176.0755 21 K 3.7679 7.8315 124.3498 59.3881 32.6835 176.9852 22 D 4.4751 8.1239 115.1326 53.1879 39.9020 176.6088 23 G 3.9159 8.0501 108.1479 46.7693 0.0000 174.2695 24 D 4.4676 8.1634 118.5770 53.2226 39.9462 177.0019 25 G 4.3338 8.8671 108.1933 45.3172 0.0000 173.5492 26 T 5.0867 7.9585 108.5386 59.9687 72.2013 173.5977 27 I 4.3973 9.0899 126.3050 60.7394 38.4216 175.8456 28 T 4.7609 8.6400 117.9450 60.8741 70.5294 176.2246 29 T 3.9287 8.4909 112.3744 64.4904 68.3224 176.6337 30 K 3.9950 7.9919 122.4988 59.3013 32.2732 178.5199 31 E 4.0113 8.0938 118.8882 59.1902 29.3356 178.8942 32 L 4.2362 8.4005 120.8810 57.9843 42.0044 179.3881 33 G 3.6110 8.1431 106.1148 48.0375 0.0000 175.9349 34 T 3.9018 7.6136 111.5971 64.1491 68.8226 176.7502 35 V 3.3726 7.7137 121.2462 66.1619 31.4295 177.6964 36 M 4.2130 7.6827 117.8135 57.3293 32.0011 178.5043 37 R 4.3333 8.4754 121.3135 58.8920 30.0475 178.4459 38 S 4.2989 7.6613 111.2910 60.1083 63.3114 174.9589 39 L 4.2603 7.0798 121.4855 54.9745 41.9385 177.0884 40 G 3.8781 7.9156 106.4467 45.7396 0.0000 174.0384 41 Q 4.3287 7.7057 119.1451 55.7583 30.0189 175.5315 42 N 5.2362 8.0068 115.9454 51.8888 38.8160 171.6456 43 P 4.5689 0.0000 0.0000 62.6143 33.1652 176.0171 44 T 4.5577 7.8954 108.9058 59.8817 72.1997 174.8225 45 E 3.8884 8.6835 121.4018 59.6482 29.2499 178.8550 46 A 3.9985 7.9527 120.1840 54.9318 18.5776 179.4067 47 E 3.9497 7.7163 116.8002 59.6716 29.6838 179.1371 48 L 3.9925 7.9878 119.0493 58.2649 41.6414 179.6549 49 Q 3.9841 8.3412 119.2080 59.1138 28.7406 177.8732 50 D 4.3452 7.7653 118.6015 57.6082 41.0449 178.5625 51 M 4.1163 7.8653 118.5884 58.6095 31.9898 178.8005 52 I 3.8303 7.6851 119.6713 64.6211 37.1243 178.1583 53 N 4.4929 8.3520 115.9996 54.9003 38.4166 175.9440 54 E 4.5809 7.5585 115.2976 56.1304 30.9107 177.5625 55 V 3.8539 7.3138 117.8099 64.6839 32.8372 176.0698 56 D 4.6143 8.0907 119.5012 53.1130 39.0801 175.9979 57 A 3.9640 8.2956 126.2467 54.7774 19.0051 179.2518 58 D 4.3832 8.4489 114.3943 54.8842 39.5372 177.4546 59 G 3.9228 7.8815 106.7647 45.7356 0.0000 173.1769 60 N 4.6530 8.6271 114.6385 52.0475 37.4280 175.9184 61 G 3.9768 9.4405 106.6515 46.0295 0.0000 173.2678 62 T 4.9028 8.0511 108.1983 60.2146 72.6567 173.1459 63 I 4.7586 8.7318 123.5277 60.0458 39.1946 175.7369 64 D 5.2559 8.8124 127.1531 52.1782 42.0719 177.5737 65 F 3.4297 8.7626 119.0869 60.8810 39.4182 174.7173 66 P 4.0890 0.0000 0.0000 65.9493 30.9316 178.3613 67 E 3.9230 8.4541 116.9646 59.2645 29.1897 179.0248 68 F 3.9599 8.3864 120.0008 61.3483 39.5416 176.7128 69 L 3.5373 8.2047 119.8012 57.8344 41.8365 178.6144 70 T 4.0921 7.3730 108.4580 63.2038 69.5141 175.2308 71 M 4.1301 7.1900 121.4233 55.2463 31.3265 174.5759 72 M 3.9905 8.1187 119.8220 55.2249 33.3638 176.0904 73 A 4.4435 7.4078 123.8269 49.6014 21.1648 176.2995 *82 E 4.1659 8.4196 120.3914 56.2562 30.9023 177.0961 83 E 4.2065 8.7758 123.3930 59.1394 29.3379 178.7099 84 E 4.2248 8.2045 116.1133 58.2616 29.6221 178.5937 85 I 4.2599 7.4806 120.3642 63.8788 37.5011 177.5959 86 R 4.1281 7.9206 119.6758 59.8985 29.5365 178.4722 87 E 3.9875 8.3072 117.4291 59.3268 29.6208 179.1654 88 A 3.9538 7.8481 119.8001 54.9168 18.4285 179.3419 89 F 3.6719 8.6488 119.2790 61.5718 39.2320 177.5901 90 R 3.9456 7.6776 116.4676 59.0666 29.8233 179.0907 91 V 3.5865 6.9914 116.8694 65.8355 31.6265 177.7207 92 F 4.4182 7.1039 115.6518 59.9513 40.3637 177.0163 93 D 4.6643 7.5141 120.0548 52.9055 38.0633 175.9958 94 K 3.8352 8.0882 124.5895 58.4167 32.6582 176.9932 95 D 4.6285 8.4614 116.2182 52.3829 39.5791 177.2888 96 G 4.1480 7.9868 106.5652 46.6777 0.0000 174.5504 97 N 4.5329 7.9671 115.7872 53.0446 37.4428 176.0220 98 G 4.0082 9.9408 108.5367 45.2226 0.0000 172.5550 99 Y 5.2379 8.1206 116.2498 56.3106 42.1369 174.7988 100 I 4.8800 9.2749 124.9154 59.5392 38.8540 175.8715 101 S 4.8564 8.7641 121.7319 57.0736 65.2365 175.0155 102 A 3.9429 8.8194 121.7562 55.5463 17.8661 179.7720 103 A 3.9640 7.9457 118.4234 55.4154 18.6345 179.5796 104 E 3.8985 8.2801 117.0616 59.2664 29.6051 179.2524 105 L 4.0079 7.9181 120.3769 58.2159 42.2016 179.0674 106 R 3.8871 8.0511 118.4759 59.7438 30.2139 177.9775 107 H 4.1129 8.4417 118.2012 59.3321 30.0354 177.4618 108 V 3.6635 8.3035 120.4823 66.0449 31.3193 177.7595 109 M 4.2515 8.0764 117.8980 57.9682 31.8958 178.7767 110 T 3.9635 7.9234 116.1649 66.7548 68.4714 176.3238 111 N 4.3212 7.8603 115.9142 55.3906 38.6703 175.7036 112 L 4.4193 7.3625 116.4452 54.2957 41.7642 176.6112 113 G 3.9738 8.3283 110.0713 45.2152 0.0000 173.9433 114 E 4.1179 7.7133 120.5801 54.9392 29.5606 176.0542 115 K 4.2699 8.4020 128.8480 55.0106 31.2761 175.2108 116 L 5.1072 8.3214 125.3396 53.2701 42.7734 178.1218 117 T 4.1804 8.4087 113.3190 61.4248 70.9203 175.1788 118 D 4.3598 8.6935 121.6882 57.8458 40.6928 179.2674 119 E 3.9568 8.0717 118.3969 59.2740 29.5870 178.8853 120 E 3.9238 8.2094 118.5846 59.4757 29.6013 179.2199 121 V 3.5346 7.8991 118.1707 66.5921 31.5441 177.8238 122 D 4.4028 8.4226 118.4326 57.3498 40.6274 178.7785 123 E 3.9916 8.4839 119.4039 59.4989 29.3069 179.2829 124 M 4.0430 8.0278 118.6476 58.4628 32.0106 178.9238 125 I 3.7160 7.7173 119.7791 64.4168 37.1059 178.4069 126 R 3.8709 7.7191 118.0915 59.6797 29.9716 178.1046 127 E 4.1183 8.2446 116.6370 58.6010 29.5688 178.3649 128 A 4.5480 7.5582 119.9856 53.0116 19.3849 177.3362 129 D 4.5381 8.0525 116.4529 53.6397 41.0808 176.1557 130 I 3.8870 8.2722 127.8195 64.2771 37.4359 177.6140 131 D 4.4641 8.4338 116.8885 53.6997 39.7404 177.0523 132 G 3.8544 8.1232 108.5127 46.3784 0.0000 173.7989 133 D 4.4776 7.9608 116.6234 52.8118 39.7114 177.3539 134 G 3.9364 9.1210 108.4933 45.8176 0.0000 173.0527 135 Q 4.8148 7.9938 116.3256 53.9472 33.5165 174.7495 136 V 4.7305 8.8018 121.0139 61.5611 33.9191 175.0358 137 N 5.3377 9.1301 126.6968 51.2968 40.0069 175.4280 138 Y 3.4169 8.3418 118.0371 60.7954 38.7274 177.4216 139 E 3.5505 7.9993 119.6972 59.1070 29.7767 178.2425 140 E 3.9365 9.0542 118.9462 59.5018 29.6192 178.9205 141 F 4.2848 8.6272 120.8864 61.4952 39.1668 177.2510 142 V 3.3154 7.5063 116.4255 66.2472 31.4267 177.5482 143 Q 4.0373 8.0770 116.6611 59.1846 28.5434 178.7923 144 M 4.1008 7.6648 118.3276 58.8322 32.4643 176.4206 145 M 4.2100 7.5540 121.6946 55.5116 32.3133 176.0528 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 E 8.44 4.40 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 7 E 8.52 4.08 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 8 Q 9.04 4.21 0.00 2.35 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 9 I 8.11 3.92 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 1.05 0.00 0.00 10 A 7.69 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.94 4.37 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 12 F 8.62 4.53 0.00 3.22 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.93 4.28 0.00 2.08 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.82 7.81 14 E 8.14 4.13 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 15 A 8.28 4.26 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.13 3.22 0.00 2.85 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.67 4.16 0.00 4.08 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.44 4.11 0.00 1.71 1.69 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.11 4.06 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.13 4.50 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.83 3.77 0.00 1.70 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 22 D 8.12 4.48 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.16 4.47 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.96 5.09 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 27 I 9.09 4.40 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.14 1.00 0.00 0.00 28 T 8.64 4.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 T 8.49 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 30 K 7.99 4.00 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.47 7.81 31 E 8.09 4.01 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 32 L 8.40 4.24 0.00 1.93 1.73 1.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.14 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.61 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 35 V 7.71 3.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.64 0.00 0.00 36 M 7.68 4.21 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 37 R 8.48 4.33 0.00 1.80 2.08 0.00 3.26 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 38 S 7.66 4.30 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.08 4.26 0.00 1.82 1.77 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.71 4.33 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 42 N 8.01 5.24 0.00 2.61 2.68 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.57 0.00 2.22 2.05 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 44 T 7.90 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 E 8.68 3.89 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 46 A 7.95 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.72 3.95 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 48 L 7.99 3.99 0.00 1.95 1.77 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.34 3.98 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 7.77 4.35 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.87 4.12 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 52 I 7.69 3.83 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.89 0.94 0.00 0.00 53 N 8.35 4.49 0.00 2.87 2.88 0.00 0.00 6.89 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.56 4.58 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 55 V 7.31 3.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.86 0.00 0.00 56 D 8.09 4.61 0.00 3.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.30 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.45 4.38 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.63 4.65 0.00 2.84 2.93 0.00 0.00 6.88 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.44 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.05 4.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 I 8.73 4.76 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 1.14 0.00 0.00 64 D 8.81 5.26 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.76 3.43 0.00 2.26 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.09 0.00 2.32 2.10 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 67 E 8.45 3.92 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 68 F 8.39 3.96 0.00 3.33 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.20 3.54 0.00 0.74 1.48 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.37 4.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 71 M 7.19 4.13 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 72 M 8.12 3.99 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 73 A 7.41 4.44 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 E 8.42 4.17 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 83 E 8.78 4.21 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 84 E 8.20 4.22 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 85 I 7.48 4.26 2.11 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 1.01 0.00 0.00 86 R 7.92 4.13 0.00 1.95 2.00 0.00 3.05 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 87 E 8.31 3.99 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 88 A 7.85 3.95 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.65 3.67 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.68 3.95 0.00 1.95 1.97 0.00 3.43 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 91 V 6.99 3.59 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.83 0.00 0.00 92 F 7.10 4.42 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.51 4.66 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.09 3.84 0.00 1.70 1.80 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 95 D 8.46 4.63 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 7.97 4.53 0.00 2.85 3.12 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.12 5.24 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.27 4.88 1.75 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.22 0.74 0.00 0.00 101 S 8.76 4.86 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.82 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.95 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.28 3.90 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 105 L 7.92 4.01 0.00 1.87 1.77 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.05 3.89 0.00 1.94 2.03 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 107 H 8.44 4.11 0.00 3.32 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.30 3.66 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.06 0.00 0.00 109 M 8.08 4.25 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.07 0.00 110 T 7.92 3.96 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 111 N 7.86 4.32 0.00 2.80 2.81 0.00 0.00 7.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.36 4.42 0.00 1.81 1.63 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.33 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.71 4.12 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 115 K 8.40 4.27 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 116 L 8.32 5.11 0.00 1.69 1.59 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.41 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 118 D 8.69 4.36 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.07 3.96 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 120 E 8.21 3.92 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 121 V 7.90 3.53 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 122 D 8.42 4.40 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.48 3.99 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 124 M 8.03 4.04 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 125 I 7.72 3.72 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.95 0.00 0.00 126 R 7.72 3.87 0.00 1.91 2.02 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 E 8.24 4.12 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 128 A 7.56 4.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.05 4.54 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.27 3.89 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.92 0.00 0.00 131 D 8.43 4.46 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.12 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.96 4.48 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.99 4.81 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 136 V 8.80 4.73 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 137 N 9.13 5.34 0.00 2.75 3.11 0.00 0.00 6.47 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.34 3.42 0.00 2.16 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.00 3.55 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 140 E 9.05 3.94 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 141 F 8.63 4.28 0.00 3.40 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.51 3.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.33 0.00 0.00 143 Q 8.08 4.04 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 144 M 7.66 4.10 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 145 M 7.55 4.21 0.00 1.84 1.66 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.